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1,2-Benzenediol, o-(4-bromobenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Benzenediol, o-(4-bromobenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
SpectraBase Compound ID PProIhw5is
InChI InChI=1S/C17H8BrF7O4/c18-10-7-5-9(6-8-10)13(26)28-11-3-1-2-4-12(11)29-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H
InChIKey PYMKYDYTMXWCPF-UHFFFAOYSA-N
Mol Weight 489.14 g/mol
Molecular Formula C17H8BrF7O4
Exact Mass 487.949419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpbiRLWThRa
Name 1,2-Benzenediol, o-(4-bromobenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)-
Comments Computed using HOSE algorithm
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Exact Mass 487.949418875 u
Formula C17H8BrF7O4
InChI InChI=1S/C17H8BrF7O4/c18-10-7-5-9(6-8-10)13(26)28-11-3-1-2-4-12(11)29-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H
InChIKey PYMKYDYTMXWCPF-UHFFFAOYSA-N
Molecular Weight 489.140 g/mol
SMILES C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)Br)OC(=O)C(C(C(F)(F)F)(F)F)(F)F